5-[(3,3-dimethyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole

C15H25N3S — CID 112644875

IUPAC5-[(3,3-dimethyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole
SMILESCC1(C)CN(Cc2cncs2)C2(CCCCC2)CN1
InChIInChI=1S/C15H25N3S/c1-14(2)11-18(9-13-8-16-12-19-13)15(10-17-14)6-4-3-5-7-15/h8,12,17H,3-7,9-11H2,1-2H3
InChIKeyRFPGMGSSYWUITA-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.03
Rot. Bonds2

About 5-[(3,3-dimethyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole

5-[(3,3-dimethyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole (PubChem CID 112644875) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 5-[(3,3-dimethyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(3,3-dimethyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole
PubChem CID112644875
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name5-[(3,3-dimethyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole
SMILESCC1(C)CN(Cc2cncs2)C2(CCCCC2)CN1
InChIInChI=1S/C15H25N3S/c1-14(2)11-18(9-13-8-16-12-19-13)15(10-17-14)6-4-3-5-7-15/h8,12,17H,3-7,9-11H2,1-2H3
InChIKeyRFPGMGSSYWUITA-UHFFFAOYSA-N
XLogP3.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(8-cyclopropyl-8-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]-1,3-thiazole
CID 115979600
5-[(3-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole
CID 112644834
8,8-dimethyl-6-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64842668
3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 107055594
5-[(2,5-diethyl-2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644920
5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-1,3-thiazole
CID 112644966
5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644864
5-[(5-ethyl-2,2-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644884
5-(6,10-diazaspiro[4.6]undecan-10-ylmethyl)-1,3-thiazole
CID 112644971
8,8-dimethyl-6-propyl-6,9-diazaspiro[4.5]decane
CID 64840920
5-[(3-cyclopropyl-3-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 112644972
3,3-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazaspiro[5.5]undecane
CID 107901521

Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-dimethyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(3,3-dimethyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole (CID 112644875) is 5-[(3,3-dimethyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(3,3-dimethyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(3,3-dimethyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole is CC1(C)CN(Cc2cncs2)C2(CCCCC2)CN1.
What is the InChIKey of 5-[(3,3-dimethyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole?
The InChIKey is RFPGMGSSYWUITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-14(2)11-18(9-13-8-16-12-19-13)15(10-17-14)6-4-3-5-7-15/h8,12,17H,3-7,9-11H2,1-2H3.
What are the key properties of 5-[(3,3-dimethyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole?
5-[(3,3-dimethyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole has a molecular weight of 279.45 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-dimethyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 112644875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).